Hydrochloric Acid → Hydrochloric Acid

HRID 135376

Reaction equation

HRID 135376 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH2:9][CH2:10][CH2:11][CH2:12][c:13]2[c:14]([OH:19])[cH:15][cH:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:23][N:24]([CH2:25][CH2:26][CH2:27][Cl:28])[CH3:29].[CH3:30][C:31]([N:32]([CH3:33])[CH3:34])=[O:35].[ClH:22].[H-:20].[Na+:21]>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][CH2:10][CH2:11][CH2:12][c:13]2[c:14]([O:19][CH2:27][CH2:26][CH2:25][N:24]([CH3:23])[CH3:29])[cH:15][cH:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7][cH:8]1.[ClH:28]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 31374DimethylacetamideHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 166653HydrideHCID 194239792-[4-(2-Methoxyphenyl)butyl]phenol

Product 2

HCID 313Hydrochloric AcidHCID 19423881N,N-Dimethyl-3-{2-[4-(2-methoxyphenyl)butyl]phenoxy}propylamine

Sources & evidence

ORD record
ord-9e339b4567e1438e90f557b14c58ad5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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